SCHEMBL90489

SCHEMBL90489

CCOC(=O)c1cc(OCCCOC)c2c(c1)OCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
MAPT P10636 5/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER4 P35408 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B2 P37059 1/20 0.36
NPC1 O15118 3/20 0.36
TP53 P04637 2/20 0.36
GLA P06280 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL90518 0.94 RAB9A (0.38) MAPTRAB9AMEN1KMT2ATSHR
SCHEMBL90485 0.93 REN (0.44) RENMAPTRAB9AMEN1KMT2A
SCHEMBL3375913 0.83 PLK1 (0.49) MAPTRAB9AMEN1KMT2ATSHR
SCHEMBL13131933 0.82 REN (0.39) RENMAPTRAB9AMEN1KMT2A
SCHEMBL13131962 0.81 AMPD3 (0.42) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL18508678 0.81 REN (0.44) RENMAPTRAB9AUSP2NPC1
SCHEMBL88824 0.80 REN (0.37) RENKDM4EALDH1A1
SCHEMBL89688 0.79 REN (0.46) RENRAB9ATSHRNPC1CA12
SCHEMBL57211 0.78 CA12 (0.47) MAPTRAB9AMEN1KMT2ATSHR
SCHEMBL26644411 0.78 HSD17B2 (0.49) MAPTRAB9AMEN1KMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885MAPT 1089/4885RAB9A 500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.